![2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid structure](/static/products/6491/64917-85-7.webp)
2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid
TL;DR: 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid (CAS 64917-85-7) is a chemical compound with molecular formula C9H8N4O5 and molecular weight 252.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid
Also Known As: Nitrobenzoxadiazolealanine, 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid, 4-(alpha-N-L-Alanine)-7-nitrobenz-2-oxa-1,3-diazole
| Molecular Formula | C9H8N4O5 |
|---|---|
| Molecular Weight | 252.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.04947 |
| Heavy Atoms | 18 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 64917-85-7 |
|---|---|
| SMILES | CC(C(=O)O)NC1=CC=C(C2=NON=C12)[N+](=O)[O-] |
| InChIKey | KWAIYUDRTUOOPG-UHFFFAOYSA-N |
Product Overview
2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid (CAS 64917-85-7), with molecular formula C9H8N4O5 and molecular weight 252.05 g/mol. IUPAC: 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid.
Chemical Property Profile of 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid
Property Insights of 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid. Following Lipinski's Rule of Five, 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid?
The CAS number of 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid is 64917-85-7.
What is the molecular formula of 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid?
The molecular formula of 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid is C9H8N4O5.
What is the molecular weight of 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid?
The molecular weight of 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid is 252.05 g/mol.
Where can I buy 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid?
You can request a quote for 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.